WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 465033
CAS#: 1957202-71-9
Description: YKL-01-116 targets MYC dependency in ovarian cancer through inhibition of CDK7 and CDK12/13. YKL-1-116 dose-dependently targets CDK7 in HCT116, Jurkat, Kuramochi, OVCAR8, and COV362 cancer cells as assessed by intracellular target engagement.
MedKoo Cat#: 465033
Name: YKL-01-116
CAS#: 1957202-71-9
Chemical Formula: C34H38N8O3
Exact Mass: 606.3067
Molecular Weight: 606.73
Elemental Analysis: C, 67.31; H, 6.31; N, 18.47; O, 7.91
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Related CAS #: 1957202-71-9;
Synonym: YKL-01-116; YKL01116; YKL 01 116;
IUPAC/Chemical Name: (S)-3-((3-(4-acrylamidobenzamido)phenyl)amino)-N-(2-(dimethylamino)-1-phenylethyl)-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxamide
InChi Key: VBYGXNURPHQSPG-MUUNZHRXSA-N
InChi Code: InChI=1S/C34H38N8O3/c1-6-29(43)35-24-17-15-23(16-18-24)32(44)37-26-14-10-13-25(19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-11-8-7-9-12-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1
SMILES Code: CC1(C)N(C(N[C@H](CN(C)C)C2=CC=CC=C2)=O)CC3=C1NN=C3NC4=CC(NC(C5=CC=C(NC(C=C)=O)C=C5)=O)=CC=C4
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 606.73 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1. “Activation of the p53 Transcriptional Program Sensitizes Cancer Cells to Cdk7 Inhibitors” Cell reports 21.2 (2017): 467-481.
2. Zeng M, Kwiatkowski NP, Zhang T, Nabet B, Xu M, Liang Y, Quan C, Wang J, Hao M, Palakurthi S, Zhou S, Zeng Q, Kirschmeier PT, Meghani K, Leggett AL, Qi J, Shapiro GI, Liu JF, Matulonis UA, Lin CY, Konstantinopoulos PA, Gray NS. Targeting MYC dependency in ovarian cancer through inhibition of CDK7 and CDK12/13. Elife. 2018 Nov 13;7. pii: e39030. doi: 10.7554/eLife.39030. PubMed PMID: 30422115; PubMed Central PMCID: PMC6251623.
3. https://graylab.dana-farber.org/probes.html
